N-(1-adamantylmethyl)-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H28N2O5/c1-3-28-19-8-17(23(25)26)16(7-18(19)27-2)20(24)22-12-21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,22,24)